N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C24H23N7 — CID 158104617

IUPACN-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(C)CN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cn2)C1
InChIInChI=1S/C24H23N7/c1-24(2)14-31(15-24)21-6-5-19(12-27-21)28-22-23-26-7-8-30(23)13-20(29-22)16-3-4-17-10-25-11-18(17)9-16/h3-10,12-13H,11,14-15H2,1-2H3,(H,28,29)
InChIKeyQHYCFYSARMNNTE-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.31
Rot. Bonds4

About N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158104617) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID158104617
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC NameN-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(C)CN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cn2)C1
InChIInChI=1S/C24H23N7/c1-24(2)14-31(15-24)21-6-5-19(12-27-21)28-22-23-26-7-8-30(23)13-20(29-22)16-3-4-17-10-25-11-18(17)9-16/h3-10,12-13H,11,14-15H2,1-2H3,(H,28,29)
InChIKeyQHYCFYSARMNNTE-UHFFFAOYSA-N
XLogP4.31
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 148617941
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104618
6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147798212
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(2-methoxyethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 147310764
4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
CID 148723889
1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 147069990
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 152848131
N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide
CID 159621291
N-(6-morpholin-4-yl-3-pyridinyl)-6-quinazolin-6-ylimidazo[1,2-a]pyrazin-8-amine
CID 141271386
5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one
CID 153260150
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 158104617) is N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is CC1(C)CN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cn2)C1.
What is the InChIKey of N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is QHYCFYSARMNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-24(2)14-31(15-24)21-6-5-19(12-27-21)28-22-23-26-7-8-30(23)13-20(29-22)16-3-4-17-10-25-11-18(17)9-16/h3-10,12-13H,11,14-15H2,1-2H3,(H,28,29).
What are the key properties of N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 409.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158104617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).